Reaction Details Report a problem with these data
Target
Cytochrome P450 2A6
Ligand
BDBM12371
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
IC50
800±n/a nM
Comments
extracted
Citation
 Cashman, JR Synthetic compounds and methods to decrease nicotine self-administration US Patent  US8906943 Publication Date 12/9/2014 
Target
Name:
Cytochrome P450 2A6
Synonyms:
1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I)
Type:
Protein
Mol. Mass.:
56514.34
Organism:
Homo sapiens (Human)
Description:
P11509
Residue:
494
Sequence:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM12371
Synonyms:
(3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydrochloride | [3-(3-pyridyl)isoxazol-5-yl]methylamine | [3-(pyridin-3-yl)-1,2-oxazol-5-yl]methanamine dihydrochloride | nicotine 3-heteroaromatic analogue 35
Type:
Small organic molecule
Emp. Form.:
C9H9N3O
Mol. Mass.:
175.1873
SMILES:
NCc1cc(no1)-c1cccnc1
Structure:
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